1-[(3-bromophenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-[(3-bromophenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-[(3-bromophenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(3-bromophenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-bromobenzyl)-4-(2-nitrobenzyl)piperazin-4-ium Formula: C18H21BrN3O2+ MolecularWeight: 391.28224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2[N+](=O)[O-])CC3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2[N+](=O)[O-])CC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H20BrN3O2/c19-17-6-3-4-15(12-17)13-20-8-10-21(11-9-20)14-16-5-1-2-7-18(16)22(23)24/h1-7,12H,8-11,13-14H2/p+1